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Crystal structure of 1,4-bis-[5-(2-meth-oxy-phen-yl)-2H-tetra-zol-2-yl]butane.

ABSTRACT: The title compound, C20H22N8O2, was synthesized by the coupling reaction of a sodium tetra-zolate salt and di-bromo-butane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P21/c space group and possesses a bridging butyl-ene group that connects two identical phenyl tetra-zole moieties. The butyl-ene group is attached not to the first but the second nitro-gen atoms of both tetra-zole rings. The dihedral angles between the phenyl groups and the adjacent tetra-zolyl rings are 5.32?(6) and 15.37?(7)°. In the crystal, the mol-ecules form centrosymmetric dimers through C-H?O hydrogen bonds between a C-H group of the butyl-ene linker and the O atom of a meth-oxy group.

SUBMITTER: Byun YM 

PROVIDER: S-EPMC6895957 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 1,4-bis-[5-(2-meth-oxy-phen-yl)-2<i>H</i>-tetra-zol-2-yl]butane.

Byun Young Min YM   Ume Farwa F   Ryu Ji Yeon JY   Lee Junseong J   Park Hyoung-Ryun HR  

Acta crystallographica. Section E, Crystallographic communications 20191108 Pt 12

The title compound, C<sub>20</sub>H<sub>22</sub>N<sub>8</sub>O<sub>2</sub>, was synthesized by the coupling reaction of a sodium tetra-zolate salt and di-bromo-butane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic <i>P</i>2<sub>1</sub>/<i>c</i> space group and possesses a bridging butyl-ene group that connect  ...[more]

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